1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

C122H235N23O10 — CID 18728793

IUPAC1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)n2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)n1
InChIInChI=1S/C122H235N23O10/c1-40-49-66-132(67-50-41-2)99-123-100(133(68-51-42-3)69-52-43-4)126-103(125-99)137(95-81-110(14,15)142(111(16,17)82-95)152-90-119(32,33)147)75-62-58-60-64-77-139(97-85-114(22,23)144(115(24,25)86-97)154-92-121(36,37)149)106-129-105(136(74-57-48-9)94-79-108(10,11)141(109(12,13)80-94)151-89-118(30,31)146)130-107(131-106)140(98-87-116(26,27)145(117(28,29)88-98)155-93-122(38,39)150)78-65-61-59-63-76-138(96-83-112(18,19)143(113(20,21)84-96)153-91-120(34,35)148)104-127-101(134(70-53-44-5)71-54-45-6)124-102(128-104)135(72-55-46-7)73-56-47-8/h94-98,146-150H,40-93H2,1-39H3
InChIKeyULRPIRFSLRLHCX-UHFFFAOYSA-N
MW2184.37 g/mol
LogP23.84
Rot. Bonds70

About 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (PubChem CID 18728793) has the molecular formula C122H235N23O10 and a molecular weight of 2184.37 g/mol. Its IUPAC name is 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
PubChem CID18728793
Molecular FormulaC122H235N23O10
Molecular Weight2184.37 g/mol
Exact Mass2182.86
IUPAC Name1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)n2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)n1
InChIInChI=1S/C122H235N23O10/c1-40-49-66-132(67-50-41-2)99-123-100(133(68-51-42-3)69-52-43-4)126-103(125-99)137(95-81-110(14,15)142(111(16,17)82-95)152-90-119(32,33)147)75-62-58-60-64-77-139(97-85-114(22,23)144(115(24,25)86-97)154-92-121(36,37)149)106-129-105(136(74-57-48-9)94-79-108(10,11)141(109(12,13)80-94)151-89-118(30,31)146)130-107(131-106)140(98-87-116(26,27)145(117(28,29)88-98)155-93-122(38,39)150)78-65-61-59-63-76-138(96-83-112(18,19)143(113(20,21)84-96)153-91-120(34,35)148)104-127-101(134(70-53-44-5)71-54-45-6)124-102(128-104)135(72-55-46-7)73-56-47-8/h94-98,146-150H,40-93H2,1-39H3
InChIKeyULRPIRFSLRLHCX-UHFFFAOYSA-N
XLogP23.84
TPSA308.67 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds70
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002184.37
LogP ≤ 523.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (CID 18728793) is 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)n2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)n1.
What is the InChIKey of 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The InChIKey is ULRPIRFSLRLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H235N23O10/c1-40-49-66-132(67-50-41-2)99-123-100(133(68-51-42-3)69-52-43-4)126-103(125-99)137(95-81-110(14,15)142(111(16,17)82-95)152-90-119(32,33)147)75-62-58-60-64-77-139(97-85-114(22,23)144(115(24,25)86-97)154-92-121(36,37)149)106-129-105(136(74-57-48-9)94-79-108(10,11)141(109(12,13)80-94)151-89-118(30,31)146)130-107(131-106)140(98-87-116(26,27)145(117(28,29)88-98)155-93-122(38,39)150)78-65-61-59-63-76-138(96-83-112(18,19)143(113(20,21)84-96)153-91-120(34,35)148)104-127-101(134(70-53-44-5)71-54-45-6)124-102(128-104)135(72-55-46-7)73-56-47-8/h94-98,146-150H,40-93H2,1-39H3.
What are the key properties of 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol has a molecular weight of 2184.37 g/mol, XLogP of 23.84, 70 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4,6-bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 18728793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).